A computational experiment investigating the [superscript 1]H and [superscript 13]C nuclear magnetic resonance (NMR) chemical shifts of molecules with unpaired electrons has been developed and implemented. This experiment is appropriate for an upper-level undergraduate laboratory course in computational, physical, or inorganic chemistry. The…

In this study we examined the effectiveness of a mobile game called MathDash for improving computational fluency as compared to a conventional drill and practice approach with computerized multiple-choice test items. An optical brain imaging method called functional near-infrared spectroscopy (fNIR) was utilized to assess changes in neural…

Raman spectroscopy is a powerful experimental technique, yet it is often missing from the undergraduate physical chemistry laboratory curriculum. Tetrachloromethane (CCl[subscript 4]) is the ideal molecule for an introductory vibrational spectroscopy experiment and the symmetric stretch vibration contains fine structure due to isotopic variations…

This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAH), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational…

A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

A series of experiments for undergraduate laboratory courses (e.g., organic, polymer, inorganic) have been developed. These experiments focus on understanding the regiochemistry of the conducting polymer poly(3-hexylthiophene) (P3HT). The substitution patterns in P3HTs control their conformational features, which, in turn, dictates the [pi]…

Practical instruction of proteomics concepts was provided using high-performance liquid chromatography coupled with a mass selective detection system (HPLC-MS) for the analysis of simulated protein digests. The samples were prepared from selected dipeptides in order to facilitate the mass spectral identification. As part of the prelaboratory…

A concise roadmap for using computational chemistry programs (i.e., Gaussian 03W) to predict the color of a molecular species is presented. A color-predicting spreadsheet is available with the online material that uses transition wavelengths and peak-shape parameters to predict the visible absorbance spectrum, transmittance spectrum, chromaticity…

The formation constant of iron(III) complex with glycine (Gly) ligand in aqueous acidic medium (0.2 M HNO[subscript 3], I = 0.2 M at 28 plus or minus 1 degree C) was determined spectrophotometrically in which a competing color reaction between Fe(III) and SCN[superscript -] was used as an indicator reaction. Under the specified conditions Fe(III)…

The relationship between pH and the aqueous solubility of heavy metals is explored by considering the environmental impact of acidic mine drainage. Acid mine drainage is an important environmental concern in many areas of the United States. Associated with coal mining in the East and hard rock mining in the West, the acidity originates primarily…

We introduce a computer exercise that bridges spectroscopy and thermodynamics using statistical mechanics and the experimental data taken from the commonly used laboratory exercise involving the rotational-vibrational spectrum of HCl. Based on the results from the analysis of their HCl spectrum, students calculate bulk thermodynamic properties…

Presented are definitions and a grid to clarify relationships between terms. Discussed is an example of the application of Einstein coefficients and some suggestions for teaching this concept. (CW)